SCHEMBL2199676

SCHEMBL2199676

Clc1cccc(OCC2CCCN2c2ncnc3[nH]cnc23)c1Cl

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 13/20 0.64
FAAH O00519 2/20 0.45
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
FFAR2 O15552 1/20 0.37
PIK3CG P48736 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1396866 1.00 METAP2 (0.64) METAP2FAAHADORA3ADORA2AADORA1
SCHEMBL2201560 0.92 METAP2 (0.72) METAP2FAAHADORA3ADORA2AADORA1
SCHEMBL2202320 0.92 METAP2 (0.72) METAP2FAAHADORA3ADORA2AADORA1
SCHEMBL2203237 0.92 METAP2 (0.72) METAP2FAAHADORA3ADORA2AADORA1
SCHEMBL2200840 0.89 METAP2 (0.56) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2200845 0.89 METAP2 (0.56) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2202518 0.85 METAP2 (0.57) METAP2
SCHEMBL2202512 0.85 METAP2 (0.57) METAP2
SCHEMBL2203182 0.84 METAP2 (0.56) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2202569 0.84 METAP2 (0.56) METAP2ADORA3ADORA2AADORA1FFAR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912994-B1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP claimed
US-7977343-B2 Adenine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-12 US claimed
US-8846694-B2 Pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
US-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2011-10-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors METAP2, METAP1, ENPEP METAP2 1/4885FAAH 2378/4885ADORA3 1964/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.